(4-Chlorophenyl)(dimethylamino)acetonitrile
TL;DR: (4-Chlorophenyl)(dimethylamino)acetonitrile (CAS 15190-08-6) is a chemical compound with molecular formula C10H11ClN2 and molecular weight 194.06108 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)-2-(dimethylamino)acetonitrile
Also Known As: 2-(4-chlorophenyl)-2-(dimethylamino)acetonitrile, (4-Chlorophenyl)(dimethylamino)acetonitrile, 4-Chloro-alpha-(dimethylamino)benzeneacetonitrile, alpha-Dimethylamino-4-chlorophenylacetonitrile, 2-(p-Chlorophenyl)-2-(dimethylamino)acetonitrile
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11ClN2 |
| Molecular Weight | 194.06108 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.06108 Da |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
| SMILES | CN(C)C(C#N)C1=CC=C(C=C1)Cl |
| InChIKey | UWSLRLXBDMTSFR-UHFFFAOYSA-N |
Chemical Property Profile of (4-Chlorophenyl)(dimethylamino)acetonitrile
Property Insights of (4-Chlorophenyl)(dimethylamino)acetonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Chlorophenyl)(dimethylamino)acetonitrile. With a topological polar surface area (TPSA) of 27.0 Ų, (4-Chlorophenyl)(dimethylamino)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorophenyl)(dimethylamino)acetonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (4-Chlorophenyl)(dimethylamino)acetonitrile?
The CAS number of (4-Chlorophenyl)(dimethylamino)acetonitrile is 15190-08-6.
What is the molecular formula of (4-Chlorophenyl)(dimethylamino)acetonitrile?
The molecular formula of (4-Chlorophenyl)(dimethylamino)acetonitrile is C10H11ClN2.
What is the molecular weight of (4-Chlorophenyl)(dimethylamino)acetonitrile?
The molecular weight of (4-Chlorophenyl)(dimethylamino)acetonitrile is 194.06108 g/mol.
Where can I buy (4-Chlorophenyl)(dimethylamino)acetonitrile?
You can request a quote for (4-Chlorophenyl)(dimethylamino)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Chlorophenyl)(dimethylamino)acetonitrile?
Yes, CoreyChem provides custom synthesis services for (4-Chlorophenyl)(dimethylamino)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.